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2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID FfTcIgeJjmI
InChI InChI=1S/C17H14ClN5O3S/c18-12-3-1-2-4-13(12)23-17(20-21-22-23)27-10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKey ZZPQJNOQWWXZFH-UHFFFAOYSA-N
Mol Weight 403.84 g/mol
Molecular Formula C17H14ClN5O3S
Exact Mass 403.050588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 437Fki2N1i6
Name 2-[1-(2-Chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.050588202 u
Formula C17H14ClN5O3S
InChI InChI=1S/C17H14ClN5O3S/c18-12-3-1-2-4-13(12)23-17(20-21-22-23)27-10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKey ZZPQJNOQWWXZFH-UHFFFAOYSA-N
Molecular Weight 403.844 g/mol
SMILES C1COC2=CC=C(NC(CSC3=NN=NN3C3=C(C=CC=C3)Cl)=O)C=C2O1